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Oleanolic acid, 3-O.beta.-glucoronide
SpectraBase Compound ID 8VcFsz3Xmyh
InChI InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20?,21?,22?,23?,24-,25+,26-,27+,29+,33?,34?,35?,36?/m1/s1
InChIKey IUCHKMAZAWJNBJ-UPWYCXGZSA-N
Mol Weight 632.8 g/mol
Molecular Formula C36H56O9
Exact Mass 632.392433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MHWQxuyYVh
Name Oleanolic acid, 3-O.beta.-glucoronide
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Formula C36H56O9
InChI InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20?,21?,22?,23?,24-,25+,26-,27+,29+,33?,34?,35?,36?/m1/s1
InChIKey IUCHKMAZAWJNBJ-UPWYCXGZSA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 33, 3324 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5